4-[(1-pentan-3-ylpyrazol-3-yl)methylamino]pyrrolidin-2-one

C13H22N4O — CID 106189038

IUPAC4-[(1-pentan-3-ylpyrazol-3-yl)methylamino]pyrrolidin-2-one
SMILESCCC(CC)n1ccc(CNC2CNC(=O)C2)n1
InChIInChI=1S/C13H22N4O/c1-3-12(4-2)17-6-5-10(16-17)8-14-11-7-13(18)15-9-11/h5-6,11-12,14H,3-4,7-9H2,1-2H3,(H,15,18)
InChIKeyXNLWCLMMBFOTRJ-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.22
Rot. Bonds6

About 4-[(1-pentan-3-ylpyrazol-3-yl)methylamino]pyrrolidin-2-one

4-[(1-pentan-3-ylpyrazol-3-yl)methylamino]pyrrolidin-2-one (PubChem CID 106189038) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 4-[(1-pentan-3-ylpyrazol-3-yl)methylamino]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[(1-pentan-3-ylpyrazol-3-yl)methylamino]pyrrolidin-2-one
PubChem CID106189038
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name4-[(1-pentan-3-ylpyrazol-3-yl)methylamino]pyrrolidin-2-one
SMILESCCC(CC)n1ccc(CNC2CNC(=O)C2)n1
InChIInChI=1S/C13H22N4O/c1-3-12(4-2)17-6-5-10(16-17)8-14-11-7-13(18)15-9-11/h5-6,11-12,14H,3-4,7-9H2,1-2H3,(H,15,18)
InChIKeyXNLWCLMMBFOTRJ-UHFFFAOYSA-N
XLogP1.22
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[(1-pentan-3-ylpyrazol-3-yl)methylamino]pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(1-propan-2-ylpyrazol-3-yl)methylamino]pyrrolidin-2-one
CID 106189037
1,1-dioxo-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]thian-4-amine
CID 64801230
3,3-dimethyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclopentan-1-amine
CID 114545880
2,2,3,3-tetramethyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclopropan-1-amine
CID 79359126
4-[(2-ethyl-5-methylpyrazol-3-yl)methylamino]pyrrolidin-2-one
CID 106189405
4-(pyrimidin-4-ylmethylamino)pyrrolidin-2-one
CID 106182416
4-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methylamino]pyrrolidin-2-one
CID 106189404
5-[(1-cyclopentylpyrazol-3-yl)methylamino]piperidin-2-one
CID 64798975
1,1-dicyclopropyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]methanamine
CID 64800483
3-ethyl-2-methyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclopentan-1-amine
CID 64921580
2,3-dimethyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclohexan-1-amine
CID 64799094
4-[(4-bromo-1,3-dimethylpyrazol-5-yl)methylamino]pyrrolidin-2-one
CID 106189229

Frequently Asked Questions

What is the IUPAC name of 4-[(1-pentan-3-ylpyrazol-3-yl)methylamino]pyrrolidin-2-one?
The IUPAC name of 4-[(1-pentan-3-ylpyrazol-3-yl)methylamino]pyrrolidin-2-one (CID 106189038) is 4-[(1-pentan-3-ylpyrazol-3-yl)methylamino]pyrrolidin-2-one.
What is the SMILES notation for 4-[(1-pentan-3-ylpyrazol-3-yl)methylamino]pyrrolidin-2-one?
The canonical SMILES for 4-[(1-pentan-3-ylpyrazol-3-yl)methylamino]pyrrolidin-2-one is CCC(CC)n1ccc(CNC2CNC(=O)C2)n1.
What is the InChIKey of 4-[(1-pentan-3-ylpyrazol-3-yl)methylamino]pyrrolidin-2-one?
The InChIKey is XNLWCLMMBFOTRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-3-12(4-2)17-6-5-10(16-17)8-14-11-7-13(18)15-9-11/h5-6,11-12,14H,3-4,7-9H2,1-2H3,(H,15,18).
What are the key properties of 4-[(1-pentan-3-ylpyrazol-3-yl)methylamino]pyrrolidin-2-one?
4-[(1-pentan-3-ylpyrazol-3-yl)methylamino]pyrrolidin-2-one has a molecular weight of 250.35 g/mol, XLogP of 1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-pentan-3-ylpyrazol-3-yl)methylamino]pyrrolidin-2-one is sourced from PubChem (CID 106189038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).